Enhanced carrier transport in CsxSnBry perovskite by reducing electron-phonon coupling under compressive strain

Zeng，Xiangyu1,2; Niu，Guangming1,3; Wang，Xiaowei1,4; Jiang，Jutao1,4; Sui，Laizhi1; Zhang，Yutong1; Chen，Anmin2; Jin，Mingxing2; Yuan，Kaijun1,4,5; Yang，Xueming1,6

2024

10.1016/j.mtphys.2023.101296

Materials Today Physics   影响因子和分区

2542-5293

Low-toxicity and environmentally friendly tin-based perovskite materials are attractive substitutes for lead halide perovskites in photovoltaic and optoelectronic devices. However, the polar perovskite lattice coupled with charge carrier, and strong polar optical phonon scattering severely affect the carrier transport. Here, we perform the first-principles calculation, and demonstrate that the carrier mobility can be significantly enhanced by applying compressive strain to the lattice, which can be attributed to the reduction of the electron-phonon coupling. Pressure-induced electron-phonon coupling strength evolutions correlate well with the polar optical phonon scattering changes. The maximum carrier mobility is 11 cm Vs and 143 cm Vs of CsSnBr with the unstrained and strained structure (13 % compression). The carrier mobility of CsSnBr with 1 % compression is improved due to a significant dielectric response induced by the dynamic lone pair activity of CsSnBr. These studies indicate that compressive strain can significantly alter the structure and carrier transport characteristics of tin-based perovskite materials, which are important for photovoltaics and optoelectronics.

Carrier mobility Compressive strain Electron-phonon coupling Polar optical phonon scattering Tin-based perovskite

SCI ; EI

英语

其他

2-s2.0-85178661036

Scopus

1.State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source,Dalian Institute of Chemical Physics,Chinese Academy of Sciences,Dalian,457 Zhongshan Road,116023,China
2.Institute of Atomic and Molecular Physics,Jilin University,Changchun,130012,China
3.Marine Engineering College,Dalian Maritime University,Dalian,116026,China
4.University of the Chinese Academy of Sciences Beijing,100039,China
5.Hefei National Laboratory,Hefei,230088,China
6.Department of Chemistry College of Science Southern University of Science and Technology,Shenzhen,518055,China

Zeng，Xiangyu,Niu，Guangming,Wang，Xiaowei,et al. Enhanced carrier transport in CsxSnBry perovskite by reducing electron-phonon coupling under compressive strain[J]. Materials Today Physics,2024,40.

Zeng，Xiangyu.,Niu，Guangming.,Wang，Xiaowei.,Jiang，Jutao.,Sui，Laizhi.,...&Yang，Xueming.(2024).Enhanced carrier transport in CsxSnBry perovskite by reducing electron-phonon coupling under compressive strain.Materials Today Physics,40.

Zeng，Xiangyu,et al."Enhanced carrier transport in CsxSnBry perovskite by reducing electron-phonon coupling under compressive strain".Materials Today Physics 40(2024).